| Properties | Image |
|---|
| MNX_ID | MNXM1123812 |
 |
| reference | chebi:161214 |
| formula | C10H17N3O7S |
| global charge | 0 |
| mol weight | 323.327 |
| InChIKey | YZFCGHIBLBDZDA-ZLUOBGJFSA-N |
| InChI | InChI=1S/C10H17N3O7S/c11-4(3-21)8(17)12-5(1-7(15)16)9(18)13-6(2-14)10(19)20/h4-6,14,21H,1-3,11H2,(H,12,17)(H,13,18)(H,15,16)(H,19,20)/t4-,5-,6-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H17N3O7S/c11-4(3-21)8(17)12-5(1-7(15)16)9(18)13-6(2-14)10(19)20/h4-6,14,21H,1-3,11H2,(H,12,17)(H,13,18)(H,15,16)(H,19,20)/t4-,5-,6-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:5]([C:9](=[N:13][C@@H:6]([CH2:2][OH:14])[C:10](=[O:19])[OH:20])[OH:18])[N:12]=[C:8]([C@H:4]([CH2:3][SH:21])[NH2:11])[OH:17])[C:7](=[O:15])[OH:16] |
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